3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C16H29N5O2 — CID 91775653

IUPAC3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)nnc1C1CC(N)C1
InChIInChI=1S/C16H29N5O2/c1-11-8-20(9-12(2)23-11)10-15-18-19-16(13-6-14(17)7-13)21(15)4-5-22-3/h11-14H,4-10,17H2,1-3H3/t11-,12+,13?,14?
InChIKeyRIWYSZZLNNLBID-VTXSZYRJSA-N
MW323.44 g/mol
LogP0.74
Rot. Bonds6

About 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91775653) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91775653
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)nnc1C1CC(N)C1
InChIInChI=1S/C16H29N5O2/c1-11-8-20(9-12(2)23-11)10-15-18-19-16(13-6-14(17)7-13)21(15)4-5-22-3/h11-14H,4-10,17H2,1-3H3/t11-,12+,13?,14?
InChIKeyRIWYSZZLNNLBID-VTXSZYRJSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Related Compounds

N-isopropyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70707648
N-{cis-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-morpholin-4-ylacetamide
CID 91785428
[trans-3-(4-methyl-5-{[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91792047
cis-3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765640
1-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 91777892
(cis-3-{4-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91793433
(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 164633704
N,N-dimethyl-1-[4-methyl-5-[(2R)-2-propan-2-ylmorpholin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 164636521
trans-3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765055
cis-3-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91766313
1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methylpiperidine-4-carbonitrile
CID 91761941
cis-3-[5-{[(cyclopentylmethyl)(methyl)amino]methyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91779339

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91775653) is 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is COCCn1c(CN2C[C@@H](C)O[C@@H](C)C2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is RIWYSZZLNNLBID-VTXSZYRJSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-11-8-20(9-12(2)23-11)10-15-18-19-16(13-6-14(17)7-13)21(15)4-5-22-3/h11-14H,4-10,17H2,1-3H3/t11-,12+,13?,14?.
What are the key properties of 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 323.44 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91775653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).